2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine

C15H23NO — CID 163538700

IUPAC2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine
SMILESCOC1C=C[C@H]2C=C(C3CCC(C)CN3)C2C1
InChIInChI=1S/C15H23NO/c1-10-3-6-15(16-9-10)14-7-11-4-5-12(17-2)8-13(11)14/h4-5,7,10-13,15-16H,3,6,8-9H2,1-2H3/t10?,11-,12?,13?,15?/m0/s1
InChIKeyDZFDWGFCPFDRHM-LDJXKFRGSA-N
MW233.35 g/mol
LogP2.52
Rot. Bonds2

About 2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine

2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine (PubChem CID 163538700) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine.

Molecular Properties

Compound Name2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine
PubChem CID163538700
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine
SMILESCOC1C=C[C@H]2C=C(C3CCC(C)CN3)C2C1
InChIInChI=1S/C15H23NO/c1-10-3-6-15(16-9-10)14-7-11-4-5-12(17-2)8-13(11)14/h4-5,7,10-13,15-16H,3,6,8-9H2,1-2H3/t10?,11-,12?,13?,15?/m0/s1
InChIKeyDZFDWGFCPFDRHM-LDJXKFRGSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 156905591
CID 156905591
CID 54060540
CID 54060540

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine?
The IUPAC name of 2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine (CID 163538700) is 2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine.
What is the SMILES notation for 2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine?
The canonical SMILES for 2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine is COC1C=C[C@H]2C=C(C3CCC(C)CN3)C2C1.
What is the InChIKey of 2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine?
The InChIKey is DZFDWGFCPFDRHM-LDJXKFRGSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-3-6-15(16-9-10)14-7-11-4-5-12(17-2)8-13(11)14/h4-5,7,10-13,15-16H,3,6,8-9H2,1-2H3/t10?,11-,12?,13?,15?/m0/s1.
What are the key properties of 2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine?
2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine has a molecular weight of 233.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-4-methoxy-7-bicyclo[4.2.0]octa-2,7-dienyl]-5-methylpiperidine is sourced from PubChem (CID 163538700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).